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8-bromanyl-9-decyl-2-phenethylsulfanyl-purin-6-amine

Systemtic Name:	8-bromanyl-9-decyl-2-phenethylsulfanyl-purin-6-amine
Openeye Name:	8-bromo-9-decyl-2-phenethylsulfanyl-purin-6-amine
CAS Name:	8-bromo-9-decyl-2-(phenethylthio)-6-purinamine
IUPAC Name:	8-bromo-9-decyl-2-phenethylsulfanylpurin-6-amine
Traditional Name:	[8-bromo-9-decyl-2-(phenethylthio)purin-6-yl]amine
Formula:	C₂₃H₃₂BrN₅S
MolecularWeight:	490.50268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(C(=NC(=N2)SCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CCCCCCCCCCN1C2=C(C(=NC(=N2)SCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C23H32BrN5S/c1-2-3-4-5-6-7-8-12-16-29-21-19(26-22(29)24)20(25)27-23(28-21)30-17-15-18-13-10-9-11-14-18/h9-11,13-14H,2-8,12,15-17H2,1H3,(H2,25,27,28)

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